SCHEMBL672603

SCHEMBL672603

Cc1c(Cn2ncc3cnc(Cl)nc32)cccc1N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 10/20 0.40
PIK3CD O00329 8/20 0.40
PIK3CA P42336 8/20 0.40
PIK3CG P48736 6/20 0.40
PKM P14618 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
BRD4 O60885 2/20 0.38
BRD9 Q9H8M2 2/20 0.38
P2RX7 Q99572 1/20 0.37
PDE2A O00408 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3C2B O00750 1/20 0.36
CNR2 P34972 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27885777 0.86 PKM (0.38) PIK3CBPIK3CDPIK3CAPIK3CGPKM
SCHEMBL10203357 0.80 JAK3 (0.42)
SCHEMBL671582 0.74 JAK2 (0.41) P2RX7
SCHEMBL671160 0.73 PKM (0.44) PKMBRD4BRD9P2RX7KDM4E
SCHEMBL1662634 0.71 STAT6 (0.45) BRD4BRD9
SCHEMBL675912 0.70 STAT6 (0.45)
SCHEMBL1662517 0.70 ADORA1 (0.47) PKMALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL21893748 0.69 PKM (0.51) PKMHTTBRD4BRD9P2RX7
SCHEMBL21846963 0.67 RECQL (0.54) PKMGAAHTTKDM4EALDH1A1
SCHEMBL1662824 0.67 PDCD1 (0.43) PIK3CBPKMBRD4BRD9P2RX7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 US disclosed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 US disclosed
EP-2606050-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS Cellzome Limited (GB) 2013-06-26 EP disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 WO disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 PIK3CB 500/4885PIK3CD 385/4885PIK3CA 206/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 PIK3CB 479/4885PIK3CD 369/4885PIK3CA 210/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.